%chk=000117397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117397

0 1
 O   -5.268400      -3.158100     -0.6978000    
 O    8.114800      0.6607000      0.7628000    
 N   0.4626000     -0.1388000     -0.4289000    
 C   -1.808200      0.3489000     -0.7436000    
 C   -1.221000     -6.5600000E-02  -2.115100    
 C  -0.5304000      0.8674000     -4.9300000E-02
 C   -2.814500       1.505300     -0.8824000    
 C   0.2530000     -0.3945000      -1.854600    
 C   -2.509700     -0.8428000     -6.6100001E-02
 C   -3.361500       1.919900      0.4811000    
 C    1.824700      0.2672000     -0.1217000    
 C   -4.322900       3.120500      0.4062000    
 C   -3.584200      -1.466700     -0.6970000    
 C   -2.067600      -1.294500       1.175900    
 C    2.820300     -0.8341000     -0.4878000    
 C   -4.858000       3.527200       1.780100    
 C   -3.615700       4.311600     -0.2451000    
 C   -4.219200      -2.546600     -8.3400004E-02
 C   -2.702500      -2.374300       1.789400    
 C    4.235400     -0.4345000     -0.1533000    
 C   -3.778100      -3.000400       1.159700    
 C    4.999000      0.2249000      -1.104200    
 C    4.748900     -0.7333000       1.099500    
 C    6.308000      0.5944000     -0.7949000    
 C    6.057900     -0.3638000       1.408800    
 C    6.837500      0.3001000      0.4616000    
 H   -1.271800      0.7708000      -2.824200    
 H   -1.731200     -0.9135000      -2.582900    
 H  -0.6085000      0.9845000       1.035000    
 H  -0.2454000       1.849200     -0.4548000    
 H   -2.309300       2.346100      -1.370000    
 H   -3.647100       1.229200      -1.541500    
 H   0.8772000      0.2385000      -2.498000    
 H   0.4604000      -1.442700      -2.094200    
 H   -3.911300       1.094600      0.9474000    
 H   -2.542000       2.176400       1.162500    
 H    2.085800       1.200100     -0.6397000    
 H    1.903400      0.4741000      0.9536000    
 H   -5.181600       2.845900     -0.2195000    
 H   -3.940600      -1.124900      -1.665200    
 H   -1.240300     -0.8493000       1.714500    
 H    2.776400      -1.079900      -1.556100    
 H    2.569200      -1.763800      4.0700000E-02
 H   -4.045800       3.839700       2.445100    
 H   -5.566800       4.357400       1.694400    
 H   -5.379700       2.689000       2.253800    
 H   -3.447100       4.150500      -1.313900    
 H   -2.653200       4.520100      0.2342000    
 H   -4.230200       5.215500     -0.1642000    
 H   -2.360100      -2.728000       2.757600    
 H   -4.264000      -3.840700       1.648300    
 H    4.594900      0.4605000      -2.084600    
 H    4.149000      -1.248300       1.844400    
 H   -5.585200      -3.883600     -0.1327000    
 H    6.904700       1.111600      -1.541500    
 H    6.464600     -0.5954000       2.389500    
 H    8.505500       1.109100     -6.8000001E-03


%chk=000117397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117397

0 1
O -5.753614 -2.619472 -0.411266
O 8.308014 0.834022 0.781792
N 0.531543 -0.143136 -0.449096
C -1.811412 0.375058 -0.711021
C -1.220328 0.003130 -2.119243
C -0.512629 0.793058 0.033846
C -2.785392 1.585138 -0.822710
C 0.183941 -0.593568 -1.831109
C -2.490837 -0.871076 -0.095850
C -3.331531 2.100537 0.528565
C 1.922798 0.272808 -0.227296
C -4.439433 3.180281 0.397939
C -3.810715 -1.214211 -0.482903
C -1.813858 -1.727372 0.814837
C 2.914111 -0.921774 -0.301582
C -5.020954 3.523714 1.789938
C -3.934100 4.461565 -0.309391
C -4.438555 -2.367084 0.033960
C -2.450530 -2.877135 1.329869
C 4.348860 -0.490388 -0.044132
C -3.769164 -3.211082 0.950256
C 5.182268 -0.046320 -1.101143
C 4.881868 -0.473757 1.272661
C 6.501080 0.400288 -0.861851
C 6.194396 -0.032075 1.532925
C 7.004237 0.407262 0.460838
H -1.125133 0.927646 -2.720689
H -1.873314 -0.694052 -2.670804
H -0.609470 0.733244 1.134199
H -0.281616 1.857166 -0.225112
H -2.241026 2.399404 -1.340769
H -3.638806 1.323923 -1.480440
H 0.927995 -0.224804 -2.573296
H 0.177257 -1.699179 -1.887260
H -3.741322 1.245252 1.101427
H -2.499297 2.518608 1.133607
H 2.249113 1.055530 -0.962007
H 1.996127 0.731051 0.777714
H -5.257699 2.748222 -0.218325
H -4.381440 -0.600365 -1.186284
H -0.774606 -1.510787 1.078951
H 2.829276 -1.392629 -1.299805
H 2.587872 -1.675490 0.439184
H -4.238586 3.955244 2.444501
H -5.839997 4.263033 1.711832
H -5.420835 2.622324 2.290979
H -3.594763 4.258178 -1.341139
H -3.085160 4.904328 0.247972
H -4.734385 5.223133 -0.364242
H -1.912999 -3.526299 2.030404
H -4.259727 -4.107141 1.352727
H 4.800128 -0.056572 -2.129323
H 4.260011 -0.818910 2.107927
H -6.108541 -3.444324 0.003676
H 7.130539 0.734545 -1.697440
H 6.607327 -0.024701 2.546073
H 8.793113 1.118808 -0.031971


